Carboxylic acid esters

Organic compounds that are directly derived from carboxylic acid, and contain an ester functional group substitution; ester groups contain an oxygen atom that is bonded to two carbon atoms or organic groups via single bonds.

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MilliporeSigma™ Dihydrorhodamine 123, Calbiochem™,

CAS: 109244-58-8 Formule moléculaire: C21H18N2O3 Poids moléculaire (g/mol): 346.39 Numéro MDL: MFCD04221428 Clé InChI: FNEZBBILNYNQGC-UHFFFAOYSA-N Synonyme: dihydrorhodamine 123,dihydrorhodamine,methyl 2-3,6-diamino-9h-xanthen-9-yl benzoate,benzoic acid, 2-3,6-diamino-9h-xanthen-9-yl-, methyl ester,dihydrorhodamine-123 CID PubChem: 105032 Nom IUPAC: methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate SMILES: COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12

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Poids moléculaire (g/mol)	346.39
Synonyme	dihydrorhodamine 123,dihydrorhodamine,methyl 2-3,6-diamino-9h-xanthen-9-yl benzoate,benzoic acid, 2-3,6-diamino-9h-xanthen-9-yl-, methyl ester,dihydrorhodamine-123
Numéro MDL	MFCD04221428
CAS	109244-58-8
CID PubChem	105032
Nom IUPAC	methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate
Clé InChI	FNEZBBILNYNQGC-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12
Formule moléculaire	C21H18N2O3

Ethylene dimethacrylate, 98%, stabilized

CAS: 97-90-5 Formule moléculaire: C10H14O4 Poids moléculaire (g/mol): 198.22 Numéro MDL: MFCD00008590 Clé InChI: STVZJERGLQHEKB-UHFFFAOYSA-N Synonyme: ethylene glycol dimethacrylate,ethylene dimethacrylate,glycol dimethacrylate,diglycol dimethacrylate,ethanediol dimethacrylate,ethylenedimethyacrylate,ethylene methacrylate,ethyldiol metacrylate,1,2-bis methacryloyloxy ethane,ethylene glycol bis methacrylate CID PubChem: 7355 ChEBI: CHEBI:53436 SMILES: CC(=C)C(=O)OCCOC(=O)C(C)=C

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Poids moléculaire (g/mol)	198.22
Synonyme	ethylene glycol dimethacrylate,ethylene dimethacrylate,glycol dimethacrylate,diglycol dimethacrylate,ethanediol dimethacrylate,ethylenedimethyacrylate,ethylene methacrylate,ethyldiol metacrylate,1,2-bis methacryloyloxy ethane,ethylene glycol bis methacrylate
Numéro MDL	MFCD00008590
CAS	97-90-5
CID PubChem	7355
ChEBI	CHEBI:53436
Clé InChI	STVZJERGLQHEKB-UHFFFAOYSA-N
SMILES	CC(=C)C(=O)OCCOC(=O)C(C)=C
Formule moléculaire	C10H14O4

Methyl 2-methylbutyrate, 98%

CAS: 868-57-5 Formule moléculaire: C6H12O2 Poids moléculaire (g/mol): 116.16 Numéro MDL: MFCD00009335 Clé InChI: OCWLYWIFNDCWRZ-UHFFFAOYNA-N Synonyme: methyl 2-methylbutyrate,butanoic acid, 2-methyl-, methyl ester,methyl 2-methyl butyrate,methyl s-2-methylbutanoate,2-methylbutyric acid methyl ester,butyric acid, 2-methyl-, methyl ester,dl-2-methylbutyric acid methyl ester,methyl dl-2-methylbutyrate,methyl alpha-methylbutyrate,methyl alpha-methylbutanoate CID PubChem: 13357 Nom IUPAC: methyl 2-methylbutanoate SMILES: CCC(C)C(=O)OC

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Poids moléculaire (g/mol)	116.16
Synonyme	methyl 2-methylbutyrate,butanoic acid, 2-methyl-, methyl ester,methyl 2-methyl butyrate,methyl s-2-methylbutanoate,2-methylbutyric acid methyl ester,butyric acid, 2-methyl-, methyl ester,dl-2-methylbutyric acid methyl ester,methyl dl-2-methylbutyrate,methyl alpha-methylbutyrate,methyl alpha-methylbutanoate
Numéro MDL	MFCD00009335
CAS	868-57-5
CID PubChem	13357
Nom IUPAC	methyl 2-methylbutanoate
Clé InChI	OCWLYWIFNDCWRZ-UHFFFAOYNA-N
SMILES	CCC(C)C(=O)OC
Formule moléculaire	C6H12O2

Methyl 3-oxocyclobutanecarboxylate, 97%, Thermo Scientific Chemicals

CAS: 695-95-4 Formule moléculaire: C6H8O3 Poids moléculaire (g/mol): 128.13 Numéro MDL: MFCD00604222 Clé InChI: IHLHSAIBOSSHQV-UHFFFAOYSA-N Synonyme: methyl 3-oxocyclobutanecarboxylate,methyl 3-oxo-cyclobutanecarboxylate,3-methoxycarbonylcyclobutanone,cyclobutanecarboxylic acid, 3-oxo-, methyl ester,3-oxocyclobutanecarboxylic acid methyl ester,ksc630k4p,methyl 3-oxocyclobutane carboxylate,3-oxo-1-cyclobutanecarboxylic acid methyl ester,cyclobutanecarboxylicacid, 3-oxo-, methyl ester CID PubChem: 13992367 Nom IUPAC: methyl 3-oxocyclobutane-1-carboxylate SMILES: COC(=O)C1CC(=O)C1

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Poids moléculaire (g/mol)	128.13
Synonyme	methyl 3-oxocyclobutanecarboxylate,methyl 3-oxo-cyclobutanecarboxylate,3-methoxycarbonylcyclobutanone,cyclobutanecarboxylic acid, 3-oxo-, methyl ester,3-oxocyclobutanecarboxylic acid methyl ester,ksc630k4p,methyl 3-oxocyclobutane carboxylate,3-oxo-1-cyclobutanecarboxylic acid methyl ester,cyclobutanecarboxylicacid, 3-oxo-, methyl ester
Numéro MDL	MFCD00604222
CAS	695-95-4
CID PubChem	13992367
Nom IUPAC	methyl 3-oxocyclobutane-1-carboxylate
Clé InChI	IHLHSAIBOSSHQV-UHFFFAOYSA-N
SMILES	COC(=O)C1CC(=O)C1
Formule moléculaire	C6H8O3

Methyl trans-2-hexenoate, 97%

CAS: 13894-63-8 Formule moléculaire: C7H12O2 Poids moléculaire (g/mol): 128.171 Numéro MDL: MFCD00048798 Clé InChI: GFUGBRNILVVWIE-AATRIKPKSA-N Synonyme: methyl 2-hexenoate,methyl e-2-hexenoate,methyl trans-2-hexenoate,methyl e-hex-2-enoate,methyl 2e-hexenoate,methyl 2e-hex-2-enoate,2-hexenoic acid, methyl ester, e,methyl 2e-2-hexenoate,2e-2-hexenoic acid methyl ester,unii-x2ddu82182 CID PubChem: 5364409 Nom IUPAC: methyl (E)-hex-2-enoate SMILES: CCCC=CC(=O)OC

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Poids moléculaire (g/mol)	128.171
Synonyme	methyl 2-hexenoate,methyl e-2-hexenoate,methyl trans-2-hexenoate,methyl e-hex-2-enoate,methyl 2e-hexenoate,methyl 2e-hex-2-enoate,2-hexenoic acid, methyl ester, e,methyl 2e-2-hexenoate,2e-2-hexenoic acid methyl ester,unii-x2ddu82182
Numéro MDL	MFCD00048798
CAS	13894-63-8
CID PubChem	5364409
Nom IUPAC	methyl (E)-hex-2-enoate
Clé InChI	GFUGBRNILVVWIE-AATRIKPKSA-N
SMILES	CCCC=CC(=O)OC
Formule moléculaire	C7H12O2

Methyl 2-methoxypropionate, 98%

CAS: 17639-76-8 Formule moléculaire: C5H10O3 Poids moléculaire (g/mol): 118.132 Numéro MDL: MFCD00151664 Clé InChI: VABBJJOSOCPYIT-UHFFFAOYSA-N Synonyme: methyl 2-methoxypropionate,propanoic acid, 2-methoxy-, methyl ester,acmc-20akie,d +-alpha-methoxy-propionic acid methyl ester,methyl2-methoxypropanoate,methyl 2-methoxy-propionate,2-methoxypropanoic acid methyl ester,racemic 2-methoxy-propionic acid methyl ester CID PubChem: 86599 Nom IUPAC: methyl 2-methoxypropanoate SMILES: CC(C(=O)OC)OC

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Poids moléculaire (g/mol)	118.132
Synonyme	methyl 2-methoxypropionate,propanoic acid, 2-methoxy-, methyl ester,acmc-20akie,d +-alpha-methoxy-propionic acid methyl ester,methyl2-methoxypropanoate,methyl 2-methoxy-propionate,2-methoxypropanoic acid methyl ester,racemic 2-methoxy-propionic acid methyl ester
Numéro MDL	MFCD00151664
CAS	17639-76-8
CID PubChem	86599
Nom IUPAC	methyl 2-methoxypropanoate
Clé InChI	VABBJJOSOCPYIT-UHFFFAOYSA-N
SMILES	CC(C(=O)OC)OC
Formule moléculaire	C5H10O3

Cyclohexyl methacrylate, 97%, stab. with ca 50ppm 4-methoxyphenol, Thermo Scientific Chemicals

CAS: 101-43-9 Formule moléculaire: C10H16O2 Poids moléculaire (g/mol): 168.24 Numéro MDL: MFCD00014292 Clé InChI: OIWOHHBRDFKZNC-UHFFFAOYSA-N Synonyme: cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate CID PubChem: 7561 Nom IUPAC: cyclohexyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1CCCCC1

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Poids moléculaire (g/mol)	168.24
Synonyme	cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate
Numéro MDL	MFCD00014292
CAS	101-43-9
CID PubChem	7561
Nom IUPAC	cyclohexyl 2-methylprop-2-enoate
Clé InChI	OIWOHHBRDFKZNC-UHFFFAOYSA-N
SMILES	CC(=C)C(=O)OC1CCCCC1
Formule moléculaire	C10H16O2

Methyl azetidine-3-carboxylate hydrochloride, 95%, Thermo Scientific Chemicals

CAS: 100202-39-9 Formule moléculaire: C5H10ClNO2 Poids moléculaire (g/mol): 151.59 Numéro MDL: MFCD01861758 Clé InChI: UOCWTLBPYROHEF-UHFFFAOYSA-N Synonyme: methyl azetidine-3-carboxylate hydrochloride,azetidine-3-methyl carboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hydrochloride,3-azetidinecarboxylic acid, methyl ester, hydrochloride,methyl azetidine-3-carboxylate hcl,methylazetidine-3-carboxylate hydrochloride,methyl 3-azetidinecarboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hcl,pubchem23516,acmc-209tka CID PubChem: 21100040 Nom IUPAC: methyl azetidine-3-carboxylate;hydrochloride SMILES: Cl.COC(=O)C1CNC1

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Poids moléculaire (g/mol)	151.59
Synonyme	methyl azetidine-3-carboxylate hydrochloride,azetidine-3-methyl carboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hydrochloride,3-azetidinecarboxylic acid, methyl ester, hydrochloride,methyl azetidine-3-carboxylate hcl,methylazetidine-3-carboxylate hydrochloride,methyl 3-azetidinecarboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hcl,pubchem23516,acmc-209tka
Numéro MDL	MFCD01861758
CAS	100202-39-9
CID PubChem	21100040
Nom IUPAC	methyl azetidine-3-carboxylate;hydrochloride
Clé InChI	UOCWTLBPYROHEF-UHFFFAOYSA-N
SMILES	Cl.COC(=O)C1CNC1
Formule moléculaire	C5H10ClNO2

Diethyl benzylidenemalonate, 98%

CAS: 5292-53-5 Formule moléculaire: C14H16O4 Poids moléculaire (g/mol): 248.28 Numéro MDL: MFCD00009149 Clé InChI: VUWPIBNKJSEYIN-UHFFFAOYSA-N Synonyme: diethyl benzylidenemalonate,diethyl benzalmalonate,diethyl 2-benzylidenemalonate,ethyl benzylidenemalonate,diethylbenzalmalonate,diethyl phenylmethylene malonate,malonic acid, benzylidene-, diethyl ester,diethylmalonate, benzal,benzylidenemalonic acid diethyl ester,propanedioic acid, phenylmethylene-, diethyl ester CID PubChem: 94751 Nom IUPAC: diethyl 2-benzylidenepropanedioate SMILES: CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC

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Poids moléculaire (g/mol)	248.28
Synonyme	diethyl benzylidenemalonate,diethyl benzalmalonate,diethyl 2-benzylidenemalonate,ethyl benzylidenemalonate,diethylbenzalmalonate,diethyl phenylmethylene malonate,malonic acid, benzylidene-, diethyl ester,diethylmalonate, benzal,benzylidenemalonic acid diethyl ester,propanedioic acid, phenylmethylene-, diethyl ester
Numéro MDL	MFCD00009149
CAS	5292-53-5
CID PubChem	94751
Nom IUPAC	diethyl 2-benzylidenepropanedioate
Clé InChI	VUWPIBNKJSEYIN-UHFFFAOYSA-N
SMILES	CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC
Formule moléculaire	C14H16O4

Vinyl decanoate, 95%, stab.

CAS: 4704-31-8 Formule moléculaire: C12H22O2 Poids moléculaire (g/mol): 198.306 Numéro MDL: MFCD00027349 Clé InChI: CMDXMIHZUJPRHG-UHFFFAOYSA-N Synonyme: vinyl decanoate,decanoic acid, vinyl ester,vinyl n-decanoate,unii-ff00i399li,decanoic acid, ethenyl ester,n-capric acid vinyl ester,decanoic acid vinyl,acmc-1aqz4,decanoic acid vinyl ester,capric acid vinyl ester = vinyl decenoate CID PubChem: 62140 Nom IUPAC: ethenyl decanoate SMILES: CCCCCCCCCC(=O)OC=C

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Poids moléculaire (g/mol)	198.306
Synonyme	vinyl decanoate,decanoic acid, vinyl ester,vinyl n-decanoate,unii-ff00i399li,decanoic acid, ethenyl ester,n-capric acid vinyl ester,decanoic acid vinyl,acmc-1aqz4,decanoic acid vinyl ester,capric acid vinyl ester = vinyl decenoate
Numéro MDL	MFCD00027349
CAS	4704-31-8
CID PubChem	62140
Nom IUPAC	ethenyl decanoate
Clé InChI	CMDXMIHZUJPRHG-UHFFFAOYSA-N
SMILES	CCCCCCCCCC(=O)OC=C
Formule moléculaire	C12H22O2

Hydroxypropyl methacrylate, 97+%, mixture of isomers, stabilized

CAS: 27813-02-1 Formule moléculaire: C7H12O3 Poids moléculaire (g/mol): 144.17 Numéro MDL: MFCD00004536 Clé InChI: ZMARGGQEAJXRFP-UHFFFAOYNA-N Synonyme: 2-hydroxypropyl methacrylate,2-hydroxypropylmethacrylate,hpma,beta-hydroxypropyl methacrylate,acryester hp,2-hydroxypropyl 2-methylacrylate,poly 2-hydroxypropyl methacrylate,2-hydroxypropyl 2-methyl-2-propenoate,2-propenoic acid, 2-methyl-, 2-hydroxypropyl ester,2-hpma CID PubChem: 13539 ChEBI: CHEBI:53440 Nom IUPAC: 2-hydroxypropyl 2-methylprop-2-enoate SMILES: CC(CO)OC(=O)C(C)=C

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Poids moléculaire (g/mol)	144.17
Synonyme	2-hydroxypropyl methacrylate,2-hydroxypropylmethacrylate,hpma,beta-hydroxypropyl methacrylate,acryester hp,2-hydroxypropyl 2-methylacrylate,poly 2-hydroxypropyl methacrylate,2-hydroxypropyl 2-methyl-2-propenoate,2-propenoic acid, 2-methyl-, 2-hydroxypropyl ester,2-hpma
Numéro MDL	MFCD00004536
CAS	27813-02-1
CID PubChem	13539
ChEBI	CHEBI:53440
Nom IUPAC	2-hydroxypropyl 2-methylprop-2-enoate
Clé InChI	ZMARGGQEAJXRFP-UHFFFAOYNA-N
SMILES	CC(CO)OC(=O)C(C)=C
Formule moléculaire	C7H12O3

Methyl 2-bromo-3-fluoropropionate, 97%

CAS: 1537-52-6 Formule moléculaire: C4H6BrFO2 Poids moléculaire (g/mol): 184.99 Numéro MDL: MFCD09800641 Clé InChI: BXTYDNLOFHBZFS-UHFFFAOYNA-N Synonyme: 2-bromo-3-fluoropropionic acid methyl ester,methyl 2-bromo-3-fluoropropionate,methyl 2-bromo-3-fluoro-propanoate,methyl alpha-bromo-beta-fluoropropionate,methyl 2-bromo-3-fluoroproprionate,propanoic acid, 2-bromo-3-fluoro-, methyl ester CID PubChem: 5271584 Nom IUPAC: methyl 2-bromo-3-fluoropropanoate SMILES: COC(=O)C(Br)CF

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Poids moléculaire (g/mol)	184.99
Synonyme	2-bromo-3-fluoropropionic acid methyl ester,methyl 2-bromo-3-fluoropropionate,methyl 2-bromo-3-fluoro-propanoate,methyl alpha-bromo-beta-fluoropropionate,methyl 2-bromo-3-fluoroproprionate,propanoic acid, 2-bromo-3-fluoro-, methyl ester
Numéro MDL	MFCD09800641
CAS	1537-52-6
CID PubChem	5271584
Nom IUPAC	methyl 2-bromo-3-fluoropropanoate
Clé InChI	BXTYDNLOFHBZFS-UHFFFAOYNA-N
SMILES	COC(=O)C(Br)CF
Formule moléculaire	C4H6BrFO2

Mono-methyl phthalate, 98%

CAS: 4376-18-5 Formule moléculaire: C9H8O4 Poids moléculaire (g/mol): 180.16 Numéro MDL: MFCD00002466 Clé InChI: FNJSWIPFHMKRAT-UHFFFAOYSA-N Synonyme: 2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr CID PubChem: 20392 Nom IUPAC: 2-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC=C1C(O)=O

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Poids moléculaire (g/mol)	180.16
Synonyme	2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr
Numéro MDL	MFCD00002466
CAS	4376-18-5
CID PubChem	20392
Nom IUPAC	2-methoxycarbonylbenzoic acid
Clé InChI	FNJSWIPFHMKRAT-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC=CC=C1C(O)=O
Formule moléculaire	C9H8O4

Methyl 1-cyclopentene-1-carboxylate, 95%

CAS: 25662-28-6 Formule moléculaire: C7H10O2 Poids moléculaire (g/mol): 126.16 Numéro MDL: MFCD00239506 Clé InChI: VTYCAXIAUKEGBQ-UHFFFAOYSA-N Synonyme: methyl 1-cyclopentene-1-carboxylate,methyl cyclopent-1-enecarboxylate,methyl cyclopent-1-ene-1-carboxylate,cyclopentene-1-carboxylic acid methyl ester,methyl 1-cyclopentenecarboxylate,1-cyclopentenecarboxylic acid methyl ester,1-cyclopentene-1-carboxylic acid, methyl ester,methyl1-cyclopentene-1-carboxylate,1-cyclopentene-1-carboxylic acid methyl ester,pubchem2487 CID PubChem: 549129 Nom IUPAC: methyl cyclopentene-1-carboxylate SMILES: COC(=O)C1=CCCC1

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Poids moléculaire (g/mol)	126.16
Synonyme	methyl 1-cyclopentene-1-carboxylate,methyl cyclopent-1-enecarboxylate,methyl cyclopent-1-ene-1-carboxylate,cyclopentene-1-carboxylic acid methyl ester,methyl 1-cyclopentenecarboxylate,1-cyclopentenecarboxylic acid methyl ester,1-cyclopentene-1-carboxylic acid, methyl ester,methyl1-cyclopentene-1-carboxylate,1-cyclopentene-1-carboxylic acid methyl ester,pubchem2487
Numéro MDL	MFCD00239506
CAS	25662-28-6
CID PubChem	549129
Nom IUPAC	methyl cyclopentene-1-carboxylate
Clé InChI	VTYCAXIAUKEGBQ-UHFFFAOYSA-N
SMILES	COC(=O)C1=CCCC1
Formule moléculaire	C7H10O2

Methyl p-toluate, 99%

CAS: 99-75-2 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.177 Numéro MDL: MFCD00008441 Clé InChI: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonyme: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate CID PubChem: 7455 Nom IUPAC: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC

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Poids moléculaire (g/mol)	150.177
Synonyme	methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate
Numéro MDL	MFCD00008441
CAS	99-75-2
CID PubChem	7455
Nom IUPAC	methyl 4-methylbenzoate
Clé InChI	QSSJZLPUHJDYKF-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)C(=O)OC
Formule moléculaire	C9H10O2

Carboxylic acid esters

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